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CHEBI:232176 - argininolithocholic acid

Default Structure
ChEBI IDCHEBI:232176
ChEBI Nameargininolithocholic acid
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC30H52N4O4
Net Charge0
Average Mass532.770
Monoisotopic Mass532.39886
SMILESC[C@H](CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C30H52N4O4/c1-18(6-11-26(36)34-25(27(37)38)5-4-16-33-28(31)32)22-9-10-23-21-8-7-19-17-20(35)12-14-29(19,2)24(21)13-15-30(22,23)3/h18-25,35H,4-17H2,1-3H3,(H,34,36)(H,37,38)(H4,31,32,33)/t18-,19-,20-,21+,22-,23+,24+,25+,29+,30-/m1/s1
InChIKeyLIXZFJGTTWSODO-YGJCNJMOSA-N
ChEBI Ontology
Outgoing Relation(s)
argininolithocholic acid (CHEBI:232176) is a organic molecular entity (CHEBI:50860)